COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      28.212  28.364 -16.481  1.00  0.00          Cl  
HETATM    2 IR   UNL     1      28.790  26.237 -16.141  1.00  0.00          Ir2+
HETATM    3  C   UNL     1      15.414  29.475  -8.493  1.00  0.00           C  
HETATM    4  N   UNL     1      16.445  29.465  -7.502  1.00  0.00           N  
HETATM    5  O   UNL     1      14.036  29.399  -8.185  1.00  0.00           O  
HETATM    6  S   UNL     1      17.814  26.752  -8.597  1.00  0.00           S  
HETATM    7  C   UNL     1      17.711  29.327  -8.186  1.00  0.00           C  
HETATM    8  N   UNL     1      15.972  29.170  -9.778  1.00  0.00           N  
HETATM    9  O   UNL     1      19.682  26.065 -15.036  1.00  0.00           O  
HETATM   10  S   UNL     1      25.959  26.686 -15.459  1.00  0.00           S  
HETATM   11  C   UNL     1      18.417  28.103  -7.641  1.00  0.00           C  
HETATM   12  N   UNL     1      20.948  24.146 -14.127  1.00  0.00           N  
HETATM   13  O   UNL     1      26.136  26.566 -16.931  1.00  0.00           O  
HETATM   14  C   UNL     1      17.417  29.102  -9.675  1.00  0.00           C  
HETATM   15  N   UNL     1      27.181  25.993 -14.704  1.00  0.00           N  
HETATM   16  O   UNL     1      25.871  28.122 -15.075  1.00  0.00           O  
HETATM   17  C   UNL     1      17.988  27.740 -10.068  1.00  0.00           C  
HETATM   18  N   UNL     1      29.786  26.616 -14.227  1.00  0.00           N  
HETATM   19  C   UNL     1      17.320  27.081 -11.283  1.00  0.00           C  
HETATM   20  C   UNL     1      18.183  25.992 -11.925  1.00  0.00           C  
HETATM   21  C   UNL     1      17.514  25.357 -13.147  1.00  0.00           C  
HETATM   22  C   UNL     1      18.378  24.282 -13.810  1.00  0.00           C  
HETATM   23  C   UNL     1      19.713  24.890 -14.223  1.00  0.00           C  
HETATM   24  C   UNL     1      22.141  24.703 -14.461  1.00  0.00           C  
HETATM   25  C   UNL     1      22.349  26.050 -14.187  1.00  0.00           C  
HETATM   26  C   UNL     1      23.558  26.657 -14.506  1.00  0.00           C  
HETATM   27  C   UNL     1      23.162  23.951 -15.055  1.00  0.00           C  
HETATM   28  C   UNL     1      24.388  24.563 -15.374  1.00  0.00           C  
HETATM   29  C   UNL     1      24.588  25.926 -15.090  1.00  0.00           C  
HETATM   30  C   UNL     1      30.484  26.229 -17.399  1.00  0.00           C  
HETATM   31  C   UNL     1      30.327  24.913 -16.707  1.00  0.00           C  
HETATM   32  C   UNL     1      28.986  24.355 -17.062  1.00  0.00           C  
HETATM   33  C   UNL     1      28.320  25.323 -17.980  1.00  0.00           C  
HETATM   34  C   UNL     1      29.247  26.479 -18.186  1.00  0.00           C  
HETATM   35  C   UNL     1      31.674  27.172 -17.284  1.00  0.00           C  
HETATM   36  C   UNL     1      31.325  24.273 -15.752  1.00  0.00           C  
HETATM   37  C   UNL     1      28.387  23.058 -16.535  1.00  0.00           C  
HETATM   38  C   UNL     1      26.913  25.191 -18.547  1.00  0.00           C  
HETATM   39  C   UNL     1      28.951  27.729 -19.004  1.00  0.00           C  
HETATM   40  C   UNL     1      27.452  26.622 -13.388  1.00  0.00           C  
HETATM   41  C   UNL     1      28.936  26.839 -13.080  1.00  0.00           C  
HETATM   42  H   UNL     1      16.314  29.540  -6.514  1.00  0.00           H  
HETATM   43  H   UNL     1      18.338  30.221  -8.055  1.00  0.00           H  
HETATM   44  H   UNL     1      15.446  29.026 -10.616  1.00  0.00           H  
HETATM   45  H   UNL     1      18.175  27.961  -6.577  1.00  0.00           H  
HETATM   46  H   UNL     1      19.506  28.202  -7.759  1.00  0.00           H  
HETATM   47  H   UNL     1      20.924  23.199 -13.807  1.00  0.00           H  
HETATM   48  H   UNL     1      17.893  29.894 -10.273  1.00  0.00           H  
HETATM   49  H   UNL     1      27.041  25.005 -14.634  1.00  0.00           H  
HETATM   50  H   UNL     1      19.068  27.837 -10.255  1.00  0.00           H  
HETATM   51  H   UNL     1      30.359  27.427 -14.340  1.00  0.00           H  
HETATM   52  H   UNL     1      30.364  25.825 -14.026  1.00  0.00           H  
HETATM   53  H   UNL     1      16.371  26.630 -10.959  1.00  0.00           H  
HETATM   54  H   UNL     1      17.119  27.857 -12.036  1.00  0.00           H  
HETATM   55  H   UNL     1      19.138  26.438 -12.238  1.00  0.00           H  
HETATM   56  H   UNL     1      18.372  25.206 -11.179  1.00  0.00           H  
HETATM   57  H   UNL     1      16.566  24.898 -12.829  1.00  0.00           H  
HETATM   58  H   UNL     1      17.310  26.147 -13.885  1.00  0.00           H  
HETATM   59  H   UNL     1      18.553  23.461 -13.099  1.00  0.00           H  
HETATM   60  H   UNL     1      17.861  23.893 -14.700  1.00  0.00           H  
HETATM   61  H   UNL     1      21.565  26.629 -13.722  1.00  0.00           H  
HETATM   62  H   UNL     1      23.699  27.707 -14.298  1.00  0.00           H  
HETATM   63  H   UNL     1      23.009  22.903 -15.268  1.00  0.00           H  
HETATM   64  H   UNL     1      25.175  23.986 -15.837  1.00  0.00           H  
HETATM   65  H   UNL     1      31.173  24.375 -16.254  1.00  0.00           H  
HETATM   66  H   UNL     1      28.644  23.328 -16.868  1.00  0.00           H  
HETATM   67  H   UNL     1      27.455  25.099 -18.622  1.00  0.00           H  
HETATM   68  H   UNL     1      31.500  28.060 -17.909  1.00  0.00           H  
HETATM   69  H   UNL     1      31.797  27.480 -16.235  1.00  0.00           H  
HETATM   70  H   UNL     1      32.584  26.656 -17.624  1.00  0.00           H  
HETATM   71  H   UNL     1      30.932  23.306 -15.404  1.00  0.00           H  
HETATM   72  H   UNL     1      32.281  24.114 -16.273  1.00  0.00           H  
HETATM   73  H   UNL     1      31.484  24.937 -14.889  1.00  0.00           H  
HETATM   74  H   UNL     1      27.389  22.910 -16.974  1.00  0.00           H  
HETATM   75  H   UNL     1      29.038  22.215 -16.811  1.00  0.00           H  
HETATM   76  H   UNL     1      28.302  23.112 -15.440  1.00  0.00           H  
HETATM   77  H   UNL     1      26.695  26.055 -19.192  1.00  0.00           H  
HETATM   78  H   UNL     1      26.841  24.265 -19.137  1.00  0.00           H  
HETATM   79  H   UNL     1      26.187  25.157 -17.722  1.00  0.00           H  
HETATM   80  H   UNL     1      27.962  27.633 -19.476  1.00  0.00           H  
HETATM   81  H   UNL     1      28.958  28.609 -18.344  1.00  0.00           H  
HETATM   82  H   UNL     1      29.719  27.848 -19.782  1.00  0.00           H  
HETATM   83  H   UNL     1      26.950  27.601 -13.365  1.00  0.00           H  
HETATM   84  H   UNL     1      27.030  25.975 -12.605  1.00  0.00           H  
HETATM   85  H   UNL     1      29.234  26.144 -12.281  1.00  0.00           H  
HETATM   86  H   UNL     1      29.075  27.874 -12.736  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1   15   18   34                                       
CONECT    2   30   31   32   33                                       
CONECT    3    4    5    5    8                                       
CONECT    4    3    7   42                                            
CONECT    5    3    3                                                 
CONECT    6   11   17                                                 
CONECT    7    4   11   14   43                                       
CONECT    8    3   14   44                                            
CONECT    9   23   23                                                 
CONECT   10   13   13   15   16                                       
CONECT   10   16   29                                                 
CONECT   11    6    7   45   46                                       
CONECT   12   23   24   47                                            
CONECT   13   10   10                                                 
CONECT   14    7    8   17   48                                       
CONECT   15   10   40   49    2                                       
CONECT   16   10   10                                                 
CONECT   17    6   14   19   50                                       
CONECT   18   41   51   52    2                                       
CONECT   19   17   20   53   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   20   22   57   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23    9    9   12   22                                       
CONECT   24   12   25   25   27                                       
CONECT   25   24   24   26   61                                       
CONECT   26   25   29   29   62                                       
CONECT   27   24   28   28   63                                       
CONECT   28   27   27   29   64                                       
CONECT   29   10   26   26   28                                       
CONECT   30   31   34   34   35                                       
CONECT   30    2                                                      
CONECT   31   30   32   36   65                                       
CONECT   31    2                                                      
CONECT   32   31   33   37   66                                       
CONECT   32    2                                                      
CONECT   33   32   34   38   67                                       
CONECT   33    2                                                      
CONECT   34   30   30   33   39                                       
CONECT   34    2                                                      
CONECT   35   30   68   69   70                                       
CONECT   36   31   71   72   73                                       
CONECT   37   32   74   75   76                                       
CONECT   38   33   77   78   79                                       
CONECT   39   34   80   81   82                                       
CONECT   40   15   41   83   84                                       
CONECT   41   18   40   85   86                                       
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
